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Benzoic acid, 4-methoxy-, heptyl ester
SpectraBase Compound ID 9iF6krruRL4
InChI InChI=1S/C15H22O3/c1-3-4-5-6-7-12-18-15(16)13-8-10-14(17-2)11-9-13/h8-11H,3-7,12H2,1-2H3
InChIKey OEYMSYGFUQPUKZ-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FN1aFrgt4V6
Name Benzoic acid, 4-methoxy-, heptyl ester
CAS Registry Number 5452-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-3-4-5-6-7-12-18-15(16)13-8-10-14(17-2)11-9-13/h8-11H,3-7,12H2,1-2H3
InChIKey OEYMSYGFUQPUKZ-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES CCCCCCCOC(=O)c1ccc(OC)cc1
SPLASH splash10-0udr-0900000000-260246241c388b534772
Source of Spectrum W5-21955-0-0
Synonyms Heptyl 4-methoxybenzoate 4-Methoxybenzoic acid heptyl ester p-Methoxybenzoic acid, heptyl ester
Wiley ID 1253546